Fluorine in PDB 7ude: Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K

Enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K

All present enzymatic activity of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K:
1.1.1.1;

Protein crystallography data

The structure of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K, PDB code: 7ude was solved by B.V.Plapp, L.Gakhar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.97 / 1.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 44.28, 51.18, 92.59, 91.9, 103.02, 109.89
R / Rfree (%) 13.3 / 16

Other elements in 7ude:

The structure of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K (pdb code 7ude). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K, PDB code: 7ude:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 7ude

Go back to Fluorine Binding Sites List in 7ude
Fluorine binding site 1 out of 6 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:17.1
occ:1.00
 F1 A:ETF404 0.0 17.1 1.0
C1 A:ETF404 1.4 14.2 1.0
F3 A:ETF404 2.1 17.0 1.0
F2 A:ETF404 2.3 16.8 1.0
C2 A:ETF404 2.3 11.9 1.0
O A:ETF404 2.9 10.4 1.0
CG2 A:VAL294 3.2 9.6 0.6
C3N A:NAJ403 3.2 8.4 1.0
C2N A:NAJ403 3.3 8.3 1.0
OG A:SER48 3.3 9.8 1.0
CG2 A:VAL294 3.4 11.2 0.4
C7N A:NAJ403 3.6 8.7 1.0
C4N A:NAJ403 3.7 9.3 1.0
N1N A:NAJ403 3.8 8.3 1.0
O7N A:NAJ403 3.9 8.9 1.0
CB A:SER48 4.2 8.9 1.0
C5N A:NAJ403 4.3 9.2 1.0
N7N A:NAJ403 4.3 8.9 1.0
C6N A:NAJ403 4.3 9.0 1.0
O2D A:NAJ403 4.5 9.7 1.0
C1D A:NAJ403 4.7 8.9 1.0
CB A:VAL294 4.7 10.2 0.6
CB A:VAL294 4.8 10.7 0.4
ZN A:ZN401 4.8 10.4 1.0
CE1 A:PHE93 5.0 9.6 1.0

Fluorine binding site 2 out of 6 in 7ude

Go back to Fluorine Binding Sites List in 7ude
Fluorine binding site 2 out of 6 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:16.8
occ:1.00
 F2 A:ETF404 0.0 16.8 1.0
C1 A:ETF404 1.4 14.2 1.0
F3 A:ETF404 2.1 17.0 1.0
F1 A:ETF404 2.3 17.1 1.0
C2 A:ETF404 2.3 11.9 1.0
CE1 A:PHE93 3.2 9.6 1.0
O A:ETF404 3.6 10.4 1.0
CD1 A:PHE93 3.7 9.4 1.0
CD2 A:LEU116 3.8 19.3 1.0
CZ A:PHE93 3.9 10.2 1.0
CD1 A:LEU116 4.0 18.6 1.0
CD1 A:LEU141 4.1 13.3 1.0
O7N A:NAJ403 4.4 8.9 1.0
CG A:LEU116 4.5 15.5 1.0
CG2 A:ILE318 4.7 10.3 1.0
C7N A:NAJ403 4.7 8.7 1.0
CG A:PHE93 4.8 9.1 1.0
C3N A:NAJ403 4.8 8.4 1.0
OG A:SER48 4.8 9.8 1.0
CE2 A:PHE93 4.9 10.4 1.0
C4N A:NAJ403 4.9 9.3 1.0

Fluorine binding site 3 out of 6 in 7ude

Go back to Fluorine Binding Sites List in 7ude
Fluorine binding site 3 out of 6 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:17.0
occ:1.00
 F3 A:ETF404 0.0 17.0 1.0
C1 A:ETF404 1.3 14.2 1.0
F1 A:ETF404 2.1 17.1 1.0
F2 A:ETF404 2.1 16.8 1.0
C2 A:ETF404 2.3 11.9 1.0
O A:ETF404 2.9 10.4 1.0
OG A:SER48 3.1 9.8 1.0
CB A:SER48 3.2 8.9 1.0
CD1 A:LEU57 3.7 13.1 0.3
CD2 A:LEU57 4.0 14.3 0.7
CG2 A:VAL294 4.1 9.6 0.6
CD1 A:LEU141 4.3 13.3 1.0
CD1 A:LEU116 4.4 18.6 1.0
CG2 A:VAL294 4.6 11.2 0.4
CA A:SER48 4.6 9.3 1.0
ZN A:ZN401 4.6 10.4 1.0
NE2 A:HIS67 4.7 10.2 1.0

Fluorine binding site 4 out of 6 in 7ude

Go back to Fluorine Binding Sites List in 7ude
Fluorine binding site 4 out of 6 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:21.4
occ:1.00
 F1 B:ETF404 0.0 21.4 1.0
C1 B:ETF404 1.4 17.4 1.0
F3 B:ETF404 2.1 19.8 1.0
F2 B:ETF404 2.2 20.2 1.0
C2 B:ETF404 2.4 14.5 1.0
O B:ETF404 2.9 13.4 1.0
CG2 B:VAL294 3.1 13.7 0.5
C3N B:NAJ403 3.2 10.2 1.0
C2N B:NAJ403 3.3 10.7 1.0
OG B:SER48 3.3 12.1 1.0
C7N B:NAJ403 3.6 10.7 1.0
CG2 B:VAL294 3.6 13.3 0.5
C4N B:NAJ403 3.7 11.8 1.0
N1N B:NAJ403 3.8 10.7 1.0
O7N B:NAJ403 3.9 11.2 1.0
CB B:SER48 4.2 11.2 1.0
C5N B:NAJ403 4.3 11.0 1.0
N7N B:NAJ403 4.3 11.3 1.0
C6N B:NAJ403 4.3 10.5 1.0
CB B:VAL294 4.5 12.5 0.5
O2D B:NAJ403 4.6 12.0 1.0
C1D B:NAJ403 4.7 10.8 1.0
ZN B:ZN401 4.8 13.2 1.0
CE1 B:PHE93 5.0 12.4 1.0
CB B:VAL294 5.0 12.1 0.5

Fluorine binding site 5 out of 6 in 7ude

Go back to Fluorine Binding Sites List in 7ude
Fluorine binding site 5 out of 6 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:20.2
occ:1.00
 F2 B:ETF404 0.0 20.2 1.0
C1 B:ETF404 1.3 17.4 1.0
F3 B:ETF404 2.1 19.8 1.0
F1 B:ETF404 2.2 21.4 1.0
C2 B:ETF404 2.3 14.5 1.0
CE1 B:PHE93 3.3 12.4 1.0
O B:ETF404 3.6 13.4 1.0
CD2 B:LEU116 3.8 22.1 1.0
CD1 B:PHE93 3.8 12.1 1.0
CZ B:PHE93 4.0 12.8 1.0
CD1 B:LEU116 4.1 22.0 1.0
CD1 B:LEU141 4.2 17.3 1.0
O7N B:NAJ403 4.3 11.2 1.0
CG B:LEU116 4.6 19.0 1.0
CG2 B:ILE318 4.7 13.2 1.0
C7N B:NAJ403 4.7 10.7 1.0
C3N B:NAJ403 4.7 10.2 1.0
OG B:SER48 4.8 12.1 1.0
CG B:PHE93 4.8 11.6 1.0
CD1 B:ILE318 4.9 16.5 1.0
C4N B:NAJ403 4.9 11.8 1.0
CG2 B:VAL294 4.9 13.7 0.5
CE2 B:PHE93 4.9 12.2 1.0

Fluorine binding site 6 out of 6 in 7ude

Go back to Fluorine Binding Sites List in 7ude
Fluorine binding site 6 out of 6 in the Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Horse Liver Alcohol Dehydrogenase with Nad and Trifluoroethanol at 125 K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:19.8
occ:1.00
 F3 B:ETF404 0.0 19.8 1.0
C1 B:ETF404 1.3 17.4 1.0
F1 B:ETF404 2.1 21.4 1.0
F2 B:ETF404 2.1 20.2 1.0
C2 B:ETF404 2.4 14.5 1.0
O B:ETF404 2.8 13.4 1.0
OG B:SER48 3.1 12.1 1.0
CB B:SER48 3.2 11.2 1.0
CG2 B:VAL294 4.1 13.7 0.5
CD2 B:LEU57 4.1 22.6 1.0
CD1 B:LEU141 4.3 17.3 1.0
CD1 B:LEU116 4.5 22.0 1.0
CA B:SER48 4.6 12.0 1.0
CG2 B:VAL294 4.6 13.3 0.5
ZN B:ZN401 4.6 13.2 1.0
NE2 B:HIS67 4.7 13.1 1.0

Reference:

B.V.Plapp, L.Gakhar, R.Subramanian. Dependence of Crystallographic Atomic Displacement Factors on Temperature (25-150 K) For Complexes of Horse Liver Alcohol Dehydrogenases Acta Crystallogr.,Sect.D V. D78 1221 2022.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798322008361
Page generated: Fri Aug 2 14:05:42 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy